General Information of the Compound
| Compound ID |
CP0902674
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cis-2-(5-chlorobenzo[b]thiophen-3-yl)-1-(-3-methyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27ClN2OS
|
||||||||||||||||||
| Molecular Weight |
390.98
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1CN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27ClN2OS/c1-15-5-4-10-24(19(15)13-23-8-2-3-9-23)21(25)11-16-14-26-20-7-6-17(22)12-18(16)20/h6-7,12,14-15,19H,2-5,8-11,13H2,1H3/t15-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTSBDLLACWIQIP-KXBFYZLASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound